1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide

C18H26ClN3O2S — CID 3785342

IUPAC1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=S)Nc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C18H26ClN3O2S/c1-4-21(5-2)17(23)13-7-6-10-22(12-13)18(25)20-15-11-14(19)8-9-16(15)24-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,20,25)
InChIKeyBVUGEIJJRVNJGW-UHFFFAOYSA-N
MW383.95 g/mol
LogP3.63
Rot. Bonds5

About 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide

1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 3785342) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID3785342
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=S)Nc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C18H26ClN3O2S/c1-4-21(5-2)17(23)13-7-6-10-22(12-13)18(25)20-15-11-14(19)8-9-16(15)24-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,20,25)
InChIKeyBVUGEIJJRVNJGW-UHFFFAOYSA-N
XLogP3.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
CID 42695501
1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-N,N-diethylpiperidine-3-carboxamide
CID 3785277
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 55556659
1-(benzhydrylcarbamothioyl)-N,N-diethylpiperidine-3-carboxamide
CID 3785270
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
CID 972974
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37192606

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide (CID 3785342) is 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=S)Nc2cc(Cl)ccc2OC)C1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is BVUGEIJJRVNJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2S/c1-4-21(5-2)17(23)13-7-6-10-22(12-13)18(25)20-15-11-14(19)8-9-16(15)24-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,20,25).
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide?
1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 383.95 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 3785342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).